USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.011 (180deg=-0.142) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc=-0.000629 (180deg=-0.127) USER MOD Single : A 55 MET CE :methyl -125:sc= -0.184 (180deg=-0.637) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 0:sc= -0.342 USER MOD Single : A 71 LYS NZ :NH3+ -163:sc= 0.0397 (180deg=0.0105) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc=-0.00685 (180deg=-0.00685) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.00276 X(o=-0.0028,f=-0.11) USER MOD Single : A 83 MET CE :methyl -178:sc= -4.67! (180deg=-4.8) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -2.98! C(o=-3!,f=-3.9!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.583 USER MOD Single : A 100 ASN : amide:sc= -0.786 K(o=-0.79,f=-1.5) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.0152 USER MOD Single : A 105 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 14.071 12.946 1.496 1.00 0.00 N ATOM 664 CA LEU A 47 14.661 14.280 1.465 1.00 0.00 C ATOM 665 C LEU A 47 14.998 14.694 0.036 1.00 0.00 C ATOM 666 O LEU A 47 14.713 15.818 -0.377 1.00 0.00 O ATOM 667 CB LEU A 47 15.922 14.321 2.331 1.00 0.00 C ATOM 668 CG LEU A 47 15.709 14.631 3.813 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.871 14.106 4.640 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.533 16.128 4.025 1.00 0.00 C ATOM 0 HA LEU A 47 13.930 14.983 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.425 13.357 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.598 15.069 1.917 1.00 0.00 H new ATOM 0 HG LEU A 47 14.800 14.129 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.702 14.336 5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.950 13.026 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.796 14.579 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.383 16.330 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.424 16.652 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.666 16.476 3.463 1.00 0.00 H new ATOM 682 N GLU A 48 15.603 13.778 -0.713 1.00 0.00 N ATOM 683 CA GLU A 48 15.976 14.049 -2.096 1.00 0.00 C ATOM 684 C GLU A 48 14.783 14.575 -2.889 1.00 0.00 C ATOM 685 O GLU A 48 14.850 15.642 -3.500 1.00 0.00 O ATOM 686 CB GLU A 48 16.523 12.782 -2.757 1.00 0.00 C ATOM 687 CG GLU A 48 16.915 12.975 -4.213 1.00 0.00 C ATOM 688 CD GLU A 48 17.821 11.872 -4.724 1.00 0.00 C ATOM 689 OE1 GLU A 48 17.750 10.748 -4.184 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.601 12.132 -5.664 1.00 0.00 O ATOM 0 H GLU A 48 15.845 12.843 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 48 16.753 14.813 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.393 12.437 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.771 11.995 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.014 13.014 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.419 13.935 -4.326 1.00 0.00 H new ATOM 697 N LYS A 49 13.691 13.818 -2.875 1.00 0.00 N ATOM 698 CA LYS A 49 12.482 14.206 -3.591 1.00 0.00 C ATOM 699 C LYS A 49 11.914 15.508 -3.035 1.00 0.00 C ATOM 700 O LYS A 49 11.348 16.314 -3.772 1.00 0.00 O ATOM 701 CB LYS A 49 11.431 13.097 -3.497 1.00 0.00 C ATOM 702 CG LYS A 49 10.404 13.136 -4.616 1.00 0.00 C ATOM 703 CD LYS A 49 9.738 11.784 -4.808 1.00 0.00 C ATOM 704 CE LYS A 49 8.652 11.844 -5.871 1.00 0.00 C ATOM 705 NZ LYS A 49 7.496 12.675 -5.437 1.00 0.00 N ATOM 0 H LYS A 49 13.619 12.932 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 49 12.744 14.362 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.933 12.130 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.916 13.176 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.647 13.887 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.887 13.440 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.487 11.045 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.306 11.452 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.068 12.253 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.309 10.834 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.699 12.529 -6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.211 12.398 -4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.769 13.679 -5.442 1.00 0.00 H new ATOM 719 N ALA A 50 12.070 15.706 -1.730 1.00 0.00 N ATOM 720 CA ALA A 50 11.576 16.912 -1.076 1.00 0.00 C ATOM 721 C ALA A 50 12.328 18.147 -1.562 1.00 0.00 C ATOM 722 O ALA A 50 11.742 19.043 -2.168 1.00 0.00 O ATOM 723 CB ALA A 50 11.695 16.779 0.435 1.00 0.00 C ATOM 0 H ALA A 50 12.534 15.047 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 50 10.525 17.033 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.323 17.686 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.108 15.925 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.740 16.630 0.706 1.00 0.00 H new ATOM 729 N ALA A 51 13.628 18.187 -1.290 1.00 0.00 N ATOM 730 CA ALA A 51 14.460 19.311 -1.700 1.00 0.00 C ATOM 731 C ALA A 51 14.078 19.797 -3.094 1.00 0.00 C ATOM 732 O ALA A 51 13.626 20.930 -3.266 1.00 0.00 O ATOM 733 CB ALA A 51 15.930 18.923 -1.659 1.00 0.00 C ATOM 0 H ALA A 51 14.128 17.454 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 51 14.292 20.129 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.539 19.772 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.201 18.632 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.104 18.086 -2.336 1.00 0.00 H new ATOM 739 N VAL A 52 14.262 18.934 -4.088 1.00 0.00 N ATOM 740 CA VAL A 52 13.936 19.275 -5.467 1.00 0.00 C ATOM 741 C VAL A 52 12.610 20.023 -5.550 1.00 0.00 C ATOM 742 O VAL A 52 12.509 21.061 -6.203 1.00 0.00 O ATOM 743 CB VAL A 52 13.859 18.018 -6.354 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.564 18.398 -7.796 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.151 17.220 -6.258 1.00 0.00 C ATOM 0 H VAL A 52 14.635 17.993 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 52 14.737 19.919 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 52 13.043 17.391 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.514 17.497 -8.407 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.611 18.924 -7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.356 19.046 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.080 16.335 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.986 17.837 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.314 16.915 -5.224 1.00 0.00 H new ATOM 755 N LYS A 53 11.593 19.488 -4.882 1.00 0.00 N ATOM 756 CA LYS A 53 10.272 20.105 -4.877 1.00 0.00 C ATOM 757 C LYS A 53 10.331 21.515 -4.298 1.00 0.00 C ATOM 758 O LYS A 53 9.597 22.405 -4.727 1.00 0.00 O ATOM 759 CB LYS A 53 9.291 19.252 -4.069 1.00 0.00 C ATOM 760 CG LYS A 53 8.626 18.155 -4.882 1.00 0.00 C ATOM 761 CD LYS A 53 7.517 18.708 -5.762 1.00 0.00 C ATOM 762 CE LYS A 53 6.957 17.641 -6.690 1.00 0.00 C ATOM 763 NZ LYS A 53 6.177 16.613 -5.947 1.00 0.00 N ATOM 0 H LYS A 53 11.659 18.628 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 53 9.925 20.169 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.821 18.801 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.521 19.899 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.371 17.658 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.217 17.400 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.717 19.103 -5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.900 19.540 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.319 18.110 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.775 17.159 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.812 15.904 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.792 16.148 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.381 17.068 -5.457 1.00 0.00 H new ATOM 777 N LYS A 54 11.211 21.712 -3.322 1.00 0.00 N ATOM 778 CA LYS A 54 11.369 23.014 -2.686 1.00 0.00 C ATOM 779 C LYS A 54 12.033 24.007 -3.635 1.00 0.00 C ATOM 780 O LYS A 54 11.603 25.154 -3.749 1.00 0.00 O ATOM 781 CB LYS A 54 12.199 22.882 -1.406 1.00 0.00 C ATOM 782 CG LYS A 54 12.621 24.216 -0.815 1.00 0.00 C ATOM 783 CD LYS A 54 11.543 24.792 0.088 1.00 0.00 C ATOM 784 CE LYS A 54 12.046 26.007 0.853 1.00 0.00 C ATOM 785 NZ LYS A 54 13.033 25.632 1.902 1.00 0.00 N ATOM 0 H LYS A 54 11.826 20.986 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 54 10.377 23.389 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.621 22.332 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.089 22.291 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.543 24.088 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.837 24.919 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.676 25.071 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.211 24.029 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.505 26.710 0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.203 26.520 1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.185 26.439 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.670 24.824 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.934 25.370 1.453 1.00 0.00 H new ATOM 799 N MET A 55 13.083 23.557 -4.315 1.00 0.00 N ATOM 800 CA MET A 55 13.804 24.405 -5.256 1.00 0.00 C ATOM 801 C MET A 55 12.919 24.775 -6.443 1.00 0.00 C ATOM 802 O MET A 55 12.977 25.896 -6.946 1.00 0.00 O ATOM 803 CB MET A 55 15.068 23.698 -5.749 1.00 0.00 C ATOM 804 CG MET A 55 15.694 22.779 -4.711 1.00 0.00 C ATOM 805 SD MET A 55 17.366 22.269 -5.153 1.00 0.00 S ATOM 806 CE MET A 55 18.263 23.800 -4.908 1.00 0.00 C ATOM 0 H MET A 55 13.453 22.610 -4.232 1.00 0.00 H new ATOM 0 HA MET A 55 14.088 25.321 -4.737 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.826 23.116 -6.639 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.801 24.448 -6.048 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.716 23.288 -3.747 1.00 0.00 H new ATOM 0 HG3 MET A 55 15.069 21.895 -4.590 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.798 24.058 -5.822 1.00 0.00 H new ATOM 0 HE2 MET A 55 17.562 24.597 -4.661 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.975 23.678 -4.092 1.00 0.00 H new ATOM 816 N ALA A 56 12.102 23.825 -6.885 1.00 0.00 N ATOM 817 CA ALA A 56 11.205 24.051 -8.011 1.00 0.00 C ATOM 818 C ALA A 56 10.078 25.007 -7.631 1.00 0.00 C ATOM 819 O ALA A 56 9.909 26.060 -8.246 1.00 0.00 O ATOM 820 CB ALA A 56 10.635 22.731 -8.506 1.00 0.00 C ATOM 0 H ALA A 56 12.043 22.891 -6.480 1.00 0.00 H new ATOM 0 HA ALA A 56 11.780 24.509 -8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.967 22.916 -9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.449 22.080 -8.825 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.080 22.250 -7.701 1.00 0.00 H new ATOM 826 N LYS A 57 9.309 24.633 -6.614 1.00 0.00 N ATOM 827 CA LYS A 57 8.198 25.456 -6.151 1.00 0.00 C ATOM 828 C LYS A 57 8.626 26.912 -6.000 1.00 0.00 C ATOM 829 O LYS A 57 7.905 27.825 -6.400 1.00 0.00 O ATOM 830 CB LYS A 57 7.668 24.928 -4.816 1.00 0.00 C ATOM 831 CG LYS A 57 6.830 23.668 -4.950 1.00 0.00 C ATOM 832 CD LYS A 57 6.867 22.836 -3.679 1.00 0.00 C ATOM 833 CE LYS A 57 6.087 23.500 -2.555 1.00 0.00 C ATOM 834 NZ LYS A 57 5.988 22.624 -1.355 1.00 0.00 N ATOM 0 H LYS A 57 9.435 23.764 -6.094 1.00 0.00 H new ATOM 0 HA LYS A 57 7.404 25.404 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.510 24.725 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.069 25.704 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.799 23.938 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.197 23.073 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.451 21.848 -3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.902 22.690 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.572 24.437 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.086 23.749 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.449 23.113 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.503 21.740 -1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.943 22.407 -1.004 1.00 0.00 H new ATOM 848 N ALA A 58 9.805 27.121 -5.422 1.00 0.00 N ATOM 849 CA ALA A 58 10.330 28.466 -5.222 1.00 0.00 C ATOM 850 C ALA A 58 10.476 29.201 -6.550 1.00 0.00 C ATOM 851 O ALA A 58 10.221 30.403 -6.637 1.00 0.00 O ATOM 852 CB ALA A 58 11.667 28.408 -4.498 1.00 0.00 C ATOM 0 H ALA A 58 10.414 26.376 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 58 9.620 29.019 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.048 29.419 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.535 27.930 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.378 27.833 -5.092 1.00 0.00 H new ATOM 858 N ILE A 59 10.889 28.472 -7.582 1.00 0.00 N ATOM 859 CA ILE A 59 11.069 29.056 -8.905 1.00 0.00 C ATOM 860 C ILE A 59 9.744 29.561 -9.468 1.00 0.00 C ATOM 861 O ILE A 59 9.641 30.705 -9.909 1.00 0.00 O ATOM 862 CB ILE A 59 11.679 28.042 -9.890 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.108 27.688 -9.472 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.658 28.599 -11.306 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.614 26.399 -10.081 1.00 0.00 C ATOM 0 H ILE A 59 11.105 27.477 -7.527 1.00 0.00 H new ATOM 0 HA ILE A 59 11.755 29.895 -8.789 1.00 0.00 H new ATOM 0 HB ILE A 59 11.079 27.133 -9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.774 28.502 -9.759 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.151 27.609 -8.386 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.093 27.870 -11.990 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.629 28.805 -11.601 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.237 29.522 -11.343 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.632 26.211 -9.741 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.971 25.574 -9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.604 26.481 -11.168 1.00 0.00 H new ATOM 877 N MET A 60 8.733 28.699 -9.449 1.00 0.00 N ATOM 878 CA MET A 60 7.413 29.059 -9.955 1.00 0.00 C ATOM 879 C MET A 60 7.079 30.509 -9.620 1.00 0.00 C ATOM 880 O MET A 60 6.416 31.197 -10.395 1.00 0.00 O ATOM 881 CB MET A 60 6.348 28.129 -9.369 1.00 0.00 C ATOM 882 CG MET A 60 6.538 26.670 -9.751 1.00 0.00 C ATOM 883 SD MET A 60 5.828 26.276 -11.361 1.00 0.00 S ATOM 884 CE MET A 60 4.393 25.320 -10.872 1.00 0.00 C ATOM 0 H MET A 60 8.802 27.747 -9.089 1.00 0.00 H new ATOM 0 HA MET A 60 7.424 28.949 -11.039 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.360 28.216 -8.283 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.365 28.459 -9.705 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.603 26.437 -9.761 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.080 26.037 -8.991 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.847 25.002 -11.761 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.714 24.443 -10.311 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.743 25.933 -10.247 1.00 0.00 H new ATOM 894 N ALA A 61 7.543 30.966 -8.461 1.00 0.00 N ATOM 895 CA ALA A 61 7.294 32.334 -8.025 1.00 0.00 C ATOM 896 C ALA A 61 8.381 33.277 -8.531 1.00 0.00 C ATOM 897 O ALA A 61 8.130 34.128 -9.385 1.00 0.00 O ATOM 898 CB ALA A 61 7.203 32.397 -6.508 1.00 0.00 C ATOM 0 H ALA A 61 8.093 30.409 -7.808 1.00 0.00 H new ATOM 0 HA ALA A 61 6.343 32.656 -8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.017 33.425 -6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.387 31.761 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.140 32.050 -6.073 1.00 0.00 H new ATOM 904 N ASP A 62 9.588 33.121 -7.998 1.00 0.00 N ATOM 905 CA ASP A 62 10.713 33.959 -8.396 1.00 0.00 C ATOM 906 C ASP A 62 11.536 33.281 -9.487 1.00 0.00 C ATOM 907 O ASP A 62 12.001 32.151 -9.336 1.00 0.00 O ATOM 908 CB ASP A 62 11.600 34.266 -7.188 1.00 0.00 C ATOM 909 CG ASP A 62 11.031 35.370 -6.318 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.597 36.400 -6.875 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.020 35.204 -5.080 1.00 0.00 O ATOM 0 H ASP A 62 9.812 32.422 -7.290 1.00 0.00 H new ATOM 0 HA ASP A 62 10.316 34.893 -8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.721 33.362 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.593 34.555 -7.534 1.00 0.00 H new ATOM 916 N PRO A 63 11.720 33.985 -10.614 1.00 0.00 N ATOM 917 CA PRO A 63 12.487 33.471 -11.752 1.00 0.00 C ATOM 918 C PRO A 63 13.979 33.377 -11.452 1.00 0.00 C ATOM 919 O PRO A 63 14.668 32.493 -11.958 1.00 0.00 O ATOM 920 CB PRO A 63 12.227 34.505 -12.851 1.00 0.00 C ATOM 921 CG PRO A 63 11.903 35.762 -12.119 1.00 0.00 C ATOM 922 CD PRO A 63 11.194 35.338 -10.862 1.00 0.00 C ATOM 0 HA PRO A 63 12.187 32.458 -12.020 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.101 34.633 -13.489 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.403 34.199 -13.496 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.808 36.323 -11.886 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.271 36.413 -12.723 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.410 36.011 -10.032 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.112 35.331 -10.994 1.00 0.00 H new ATOM 930 N ASN A 64 14.470 34.294 -10.625 1.00 0.00 N ATOM 931 CA ASN A 64 15.881 34.313 -10.257 1.00 0.00 C ATOM 932 C ASN A 64 16.272 33.029 -9.531 1.00 0.00 C ATOM 933 O ASN A 64 17.454 32.709 -9.406 1.00 0.00 O ATOM 934 CB ASN A 64 16.182 35.524 -9.371 1.00 0.00 C ATOM 935 CG ASN A 64 16.359 36.798 -10.174 1.00 0.00 C ATOM 936 OD1 ASN A 64 17.397 37.011 -10.801 1.00 0.00 O ATOM 937 ND2 ASN A 64 15.343 37.653 -10.159 1.00 0.00 N ATOM 0 H ASN A 64 13.912 35.033 -10.197 1.00 0.00 H new ATOM 0 HA ASN A 64 16.468 34.385 -11.172 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.370 35.658 -8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.087 35.333 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.404 38.527 -10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.501 37.436 -9.625 1.00 0.00 H new ATOM 944 N LYS A 65 15.271 32.297 -9.056 1.00 0.00 N ATOM 945 CA LYS A 65 15.508 31.046 -8.344 1.00 0.00 C ATOM 946 C LYS A 65 15.883 29.931 -9.315 1.00 0.00 C ATOM 947 O LYS A 65 16.605 29.001 -8.958 1.00 0.00 O ATOM 948 CB LYS A 65 14.265 30.646 -7.547 1.00 0.00 C ATOM 949 CG LYS A 65 14.159 31.337 -6.198 1.00 0.00 C ATOM 950 CD LYS A 65 14.880 30.554 -5.113 1.00 0.00 C ATOM 951 CE LYS A 65 15.437 31.476 -4.038 1.00 0.00 C ATOM 952 NZ LYS A 65 14.457 31.702 -2.939 1.00 0.00 N ATOM 0 H LYS A 65 14.287 32.548 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 65 16.339 31.200 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.377 30.877 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.274 29.567 -7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.582 32.339 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.109 31.452 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.193 29.839 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.692 29.978 -5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.350 31.045 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.709 32.432 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.874 32.335 -2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.595 32.137 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.217 30.792 -2.496 1.00 0.00 H new ATOM 966 N ALA A 66 15.388 30.031 -10.544 1.00 0.00 N ATOM 967 CA ALA A 66 15.674 29.033 -11.567 1.00 0.00 C ATOM 968 C ALA A 66 17.156 29.026 -11.928 1.00 0.00 C ATOM 969 O ALA A 66 17.791 27.972 -11.963 1.00 0.00 O ATOM 970 CB ALA A 66 14.828 29.288 -12.806 1.00 0.00 C ATOM 0 H ALA A 66 14.787 30.794 -10.856 1.00 0.00 H new ATOM 0 HA ALA A 66 15.420 28.053 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.053 28.535 -13.561 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.772 29.234 -12.543 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.053 30.278 -13.203 1.00 0.00 H new ATOM 976 N ASP A 67 17.700 30.207 -12.196 1.00 0.00 N ATOM 977 CA ASP A 67 19.108 30.337 -12.555 1.00 0.00 C ATOM 978 C ASP A 67 19.995 29.631 -11.535 1.00 0.00 C ATOM 979 O ASP A 67 20.739 28.712 -11.876 1.00 0.00 O ATOM 980 CB ASP A 67 19.497 31.813 -12.653 1.00 0.00 C ATOM 981 CG ASP A 67 19.040 32.447 -13.952 1.00 0.00 C ATOM 982 OD1 ASP A 67 19.574 32.071 -15.016 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.148 33.320 -13.904 1.00 0.00 O ATOM 0 H ASP A 67 17.188 31.089 -12.172 1.00 0.00 H new ATOM 0 HA ASP A 67 19.256 29.865 -13.527 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.063 32.357 -11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.580 31.907 -12.567 1.00 0.00 H new ATOM 988 N GLU A 68 19.912 30.068 -10.282 1.00 0.00 N ATOM 989 CA GLU A 68 20.710 29.478 -9.213 1.00 0.00 C ATOM 990 C GLU A 68 20.513 27.966 -9.158 1.00 0.00 C ATOM 991 O GLU A 68 21.462 27.198 -9.318 1.00 0.00 O ATOM 992 CB GLU A 68 20.338 30.101 -7.866 1.00 0.00 C ATOM 993 CG GLU A 68 18.842 30.139 -7.605 1.00 0.00 C ATOM 994 CD GLU A 68 18.445 31.244 -6.645 1.00 0.00 C ATOM 995 OE1 GLU A 68 18.713 32.424 -6.955 1.00 0.00 O ATOM 996 OE2 GLU A 68 17.867 30.928 -5.584 1.00 0.00 O ATOM 0 H GLU A 68 19.301 30.828 -9.982 1.00 0.00 H new ATOM 0 HA GLU A 68 21.760 29.683 -9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.823 29.538 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.731 31.117 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.316 30.277 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.523 29.179 -7.200 1.00 0.00 H new ATOM 1003 N VAL A 69 19.273 27.545 -8.930 1.00 0.00 N ATOM 1004 CA VAL A 69 18.949 26.125 -8.854 1.00 0.00 C ATOM 1005 C VAL A 69 19.530 25.365 -10.041 1.00 0.00 C ATOM 1006 O VAL A 69 20.381 24.490 -9.876 1.00 0.00 O ATOM 1007 CB VAL A 69 17.427 25.898 -8.809 1.00 0.00 C ATOM 1008 CG1 VAL A 69 17.112 24.420 -8.632 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.799 26.722 -7.695 1.00 0.00 C ATOM 0 H VAL A 69 18.476 28.167 -8.795 1.00 0.00 H new ATOM 0 HA VAL A 69 19.392 25.748 -7.932 1.00 0.00 H new ATOM 0 HB VAL A 69 17.000 26.225 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.032 24.279 -8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.529 23.857 -9.467 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.550 24.064 -7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.723 26.550 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.229 26.428 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.994 27.780 -7.871 1.00 0.00 H new ATOM 1019 N TYR A 70 19.066 25.704 -11.239 1.00 0.00 N ATOM 1020 CA TYR A 70 19.538 25.053 -12.454 1.00 0.00 C ATOM 1021 C TYR A 70 21.012 24.679 -12.335 1.00 0.00 C ATOM 1022 O TYR A 70 21.430 23.605 -12.767 1.00 0.00 O ATOM 1023 CB TYR A 70 19.328 25.967 -13.663 1.00 0.00 C ATOM 1024 CG TYR A 70 17.879 26.111 -14.068 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.040 25.005 -14.125 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.348 27.353 -14.396 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.715 25.132 -14.496 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.024 27.489 -14.766 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.212 26.376 -14.815 1.00 0.00 C ATOM 1030 OH TYR A 70 13.893 26.507 -15.185 1.00 0.00 O ATOM 0 H TYR A 70 18.363 26.427 -11.394 1.00 0.00 H new ATOM 0 HA TYR A 70 18.960 24.139 -12.593 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.733 26.953 -13.437 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.895 25.575 -14.507 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.430 24.029 -13.875 1.00 0.00 H new ATOM 0 HD2 TYR A 70 17.982 28.227 -14.361 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.077 24.262 -14.536 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.627 28.462 -15.016 1.00 0.00 H new ATOM 0 HH TYR A 70 13.460 25.628 -15.170 1.00 0.00 H new ATOM 1040 N LYS A 71 21.797 25.574 -11.745 1.00 0.00 N ATOM 1041 CA LYS A 71 23.225 25.341 -11.565 1.00 0.00 C ATOM 1042 C LYS A 71 23.477 24.376 -10.412 1.00 0.00 C ATOM 1043 O LYS A 71 24.299 23.465 -10.519 1.00 0.00 O ATOM 1044 CB LYS A 71 23.950 26.664 -11.306 1.00 0.00 C ATOM 1045 CG LYS A 71 24.072 27.542 -12.539 1.00 0.00 C ATOM 1046 CD LYS A 71 24.848 28.815 -12.242 1.00 0.00 C ATOM 1047 CE LYS A 71 24.514 29.916 -13.238 1.00 0.00 C ATOM 1048 NZ LYS A 71 23.263 30.634 -12.871 1.00 0.00 N ATOM 0 H LYS A 71 21.468 26.469 -11.383 1.00 0.00 H new ATOM 0 HA LYS A 71 23.614 24.895 -12.480 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.418 27.214 -10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.947 26.453 -10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.571 26.988 -13.334 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.078 27.798 -12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.619 29.155 -11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 71 25.917 28.606 -12.273 1.00 0.00 H new ATOM 0 HE2 LYS A 71 25.340 30.626 -13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 71 24.407 29.485 -14.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.913 31.164 -13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.543 29.946 -12.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.458 31.294 -12.091 1.00 0.00 H new ATOM 1062 N LYS A 72 22.766 24.580 -9.308 1.00 0.00 N ATOM 1063 CA LYS A 72 22.910 23.727 -8.135 1.00 0.00 C ATOM 1064 C LYS A 72 22.608 22.272 -8.480 1.00 0.00 C ATOM 1065 O LYS A 72 23.454 21.395 -8.307 1.00 0.00 O ATOM 1066 CB LYS A 72 21.979 24.201 -7.016 1.00 0.00 C ATOM 1067 CG LYS A 72 22.265 25.617 -6.547 1.00 0.00 C ATOM 1068 CD LYS A 72 21.789 25.838 -5.121 1.00 0.00 C ATOM 1069 CE LYS A 72 21.593 27.317 -4.821 1.00 0.00 C ATOM 1070 NZ LYS A 72 20.210 27.768 -5.136 1.00 0.00 N ATOM 0 H LYS A 72 22.083 25.330 -9.202 1.00 0.00 H new ATOM 0 HA LYS A 72 23.943 23.794 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.948 24.144 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.068 23.521 -6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.336 25.813 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.772 26.328 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.851 25.306 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.515 25.418 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.806 27.505 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.307 27.903 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.117 28.781 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.015 27.612 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.530 27.227 -4.565 1.00 0.00 H new ATOM 1084 N TRP A 73 21.398 22.024 -8.968 1.00 0.00 N ATOM 1085 CA TRP A 73 20.985 20.675 -9.338 1.00 0.00 C ATOM 1086 C TRP A 73 22.125 19.925 -10.019 1.00 0.00 C ATOM 1087 O TRP A 73 22.613 18.919 -9.505 1.00 0.00 O ATOM 1088 CB TRP A 73 19.768 20.727 -10.262 1.00 0.00 C ATOM 1089 CG TRP A 73 18.478 20.957 -9.534 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.200 20.631 -8.238 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.292 21.560 -10.062 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.912 20.995 -7.927 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.334 21.568 -9.029 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.946 22.096 -11.305 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.055 22.090 -9.204 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.677 22.614 -11.477 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.744 22.609 -10.432 1.00 0.00 C ATOM 0 H TRP A 73 20.686 22.739 -9.117 1.00 0.00 H new ATOM 0 HA TRP A 73 20.717 20.141 -8.427 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.910 21.522 -10.994 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.702 19.791 -10.817 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.891 20.157 -7.557 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.460 20.860 -7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.658 22.105 -12.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.334 22.086 -8.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.399 23.030 -12.434 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.760 23.023 -10.598 1.00 0.00 H new ATOM 1108 N ALA A 74 22.544 20.421 -11.178 1.00 0.00 N ATOM 1109 CA ALA A 74 23.628 19.798 -11.928 1.00 0.00 C ATOM 1110 C ALA A 74 24.833 19.532 -11.032 1.00 0.00 C ATOM 1111 O ALA A 74 25.456 18.473 -11.113 1.00 0.00 O ATOM 1112 CB ALA A 74 24.027 20.676 -13.106 1.00 0.00 C ATOM 0 H ALA A 74 22.150 21.252 -11.618 1.00 0.00 H new ATOM 0 HA ALA A 74 23.272 18.840 -12.307 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.837 20.199 -13.657 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.170 20.811 -13.766 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.360 21.647 -12.740 1.00 0.00 H new ATOM 1118 N ASP A 75 25.156 20.498 -10.180 1.00 0.00 N ATOM 1119 CA ASP A 75 26.287 20.367 -9.269 1.00 0.00 C ATOM 1120 C ASP A 75 26.058 19.230 -8.279 1.00 0.00 C ATOM 1121 O ASP A 75 26.979 18.480 -7.954 1.00 0.00 O ATOM 1122 CB ASP A 75 26.516 21.678 -8.514 1.00 0.00 C ATOM 1123 CG ASP A 75 27.460 22.611 -9.247 1.00 0.00 C ATOM 1124 OD1 ASP A 75 27.064 23.146 -10.304 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.594 22.806 -8.763 1.00 0.00 O ATOM 0 H ASP A 75 24.651 21.381 -10.101 1.00 0.00 H new ATOM 0 HA ASP A 75 27.173 20.137 -9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.560 22.179 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.921 21.459 -7.526 1.00 0.00 H new ATOM 1130 N LYS A 76 24.824 19.107 -7.802 1.00 0.00 N ATOM 1131 CA LYS A 76 24.472 18.061 -6.849 1.00 0.00 C ATOM 1132 C LYS A 76 24.753 16.679 -7.430 1.00 0.00 C ATOM 1133 O LYS A 76 25.413 15.852 -6.801 1.00 0.00 O ATOM 1134 CB LYS A 76 22.997 18.172 -6.459 1.00 0.00 C ATOM 1135 CG LYS A 76 22.629 19.513 -5.848 1.00 0.00 C ATOM 1136 CD LYS A 76 23.017 19.583 -4.381 1.00 0.00 C ATOM 1137 CE LYS A 76 22.970 21.011 -3.858 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.308 21.083 -2.410 1.00 0.00 N ATOM 0 H LYS A 76 24.050 19.719 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 76 25.087 18.194 -5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.382 18.004 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.757 17.381 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.128 20.312 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.556 19.678 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.343 18.958 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.021 19.179 -4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.667 21.628 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.974 21.424 -4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 23.265 22.072 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.628 20.515 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.268 20.712 -2.259 1.00 0.00 H new ATOM 1152 N GLY A 77 24.247 16.435 -8.635 1.00 0.00 N ATOM 1153 CA GLY A 77 24.456 15.152 -9.281 1.00 0.00 C ATOM 1154 C GLY A 77 23.157 14.508 -9.723 1.00 0.00 C ATOM 1155 O GLY A 77 23.002 13.289 -9.644 1.00 0.00 O ATOM 0 H GLY A 77 23.696 17.102 -9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.105 15.286 -10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.975 14.483 -8.594 1.00 0.00 H new ATOM 1159 N TYR A 78 22.220 15.327 -10.188 1.00 0.00 N ATOM 1160 CA TYR A 78 20.926 14.831 -10.641 1.00 0.00 C ATOM 1161 C TYR A 78 20.898 14.687 -12.159 1.00 0.00 C ATOM 1162 O TYR A 78 21.832 15.095 -12.851 1.00 0.00 O ATOM 1163 CB TYR A 78 19.808 15.770 -10.185 1.00 0.00 C ATOM 1164 CG TYR A 78 19.778 15.996 -8.691 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.879 14.930 -7.805 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.649 17.275 -8.164 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.851 15.132 -6.439 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.622 17.487 -6.799 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.723 16.412 -5.941 1.00 0.00 C ATOM 1170 OH TYR A 78 19.695 16.618 -4.580 1.00 0.00 O ATOM 0 H TYR A 78 22.333 16.338 -10.261 1.00 0.00 H new ATOM 0 HA TYR A 78 20.768 13.847 -10.199 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.925 16.731 -10.687 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.849 15.360 -10.501 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.981 13.927 -8.191 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.568 18.119 -8.833 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.929 14.292 -5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.522 18.488 -6.406 1.00 0.00 H new ATOM 0 HH TYR A 78 19.601 17.576 -4.396 1.00 0.00 H new ATOM 1180 N THR A 79 19.820 14.103 -12.672 1.00 0.00 N ATOM 1181 CA THR A 79 19.668 13.904 -14.108 1.00 0.00 C ATOM 1182 C THR A 79 18.198 13.900 -14.510 1.00 0.00 C ATOM 1183 O THR A 79 17.316 13.684 -13.678 1.00 0.00 O ATOM 1184 CB THR A 79 20.317 12.584 -14.564 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.707 12.131 -15.778 1.00 0.00 O ATOM 1186 CG2 THR A 79 20.178 11.514 -13.491 1.00 0.00 C ATOM 0 H THR A 79 19.039 13.759 -12.114 1.00 0.00 H new ATOM 0 HA THR A 79 20.173 14.737 -14.598 1.00 0.00 H new ATOM 0 HB THR A 79 21.377 12.767 -14.737 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.127 11.292 -16.062 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.644 10.591 -13.835 1.00 0.00 H new ATOM 0 HG22 THR A 79 20.669 11.849 -12.577 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.122 11.335 -13.291 1.00 0.00 H new ATOM 1194 N LEU A 80 17.939 14.139 -15.791 1.00 0.00 N ATOM 1195 CA LEU A 80 16.574 14.163 -16.305 1.00 0.00 C ATOM 1196 C LEU A 80 15.754 13.017 -15.722 1.00 0.00 C ATOM 1197 O LEU A 80 14.693 13.233 -15.135 1.00 0.00 O ATOM 1198 CB LEU A 80 16.581 14.075 -17.832 1.00 0.00 C ATOM 1199 CG LEU A 80 17.057 15.324 -18.574 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.000 15.106 -20.078 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.220 16.531 -18.177 1.00 0.00 C ATOM 0 H LEU A 80 18.657 14.319 -16.493 1.00 0.00 H new ATOM 0 HA LEU A 80 16.115 15.105 -16.004 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.216 13.239 -18.125 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.571 13.841 -18.167 1.00 0.00 H new ATOM 0 HG LEU A 80 18.093 15.516 -18.294 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.342 16.006 -20.589 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.642 14.268 -20.349 1.00 0.00 H new ATOM 0 HD13 LEU A 80 15.974 14.888 -20.375 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.573 17.411 -18.715 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.175 16.347 -18.427 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.312 16.700 -17.104 1.00 0.00 H new ATOM 1213 N THR A 81 16.252 11.795 -15.886 1.00 0.00 N ATOM 1214 CA THR A 81 15.566 10.615 -15.376 1.00 0.00 C ATOM 1215 C THR A 81 15.145 10.808 -13.924 1.00 0.00 C ATOM 1216 O THR A 81 14.076 10.359 -13.513 1.00 0.00 O ATOM 1217 CB THR A 81 16.455 9.361 -15.478 1.00 0.00 C ATOM 1218 OG1 THR A 81 15.639 8.186 -15.550 1.00 0.00 O ATOM 1219 CG2 THR A 81 17.390 9.261 -14.282 1.00 0.00 C ATOM 0 H THR A 81 17.129 11.597 -16.368 1.00 0.00 H new ATOM 0 HA THR A 81 14.679 10.474 -15.993 1.00 0.00 H new ATOM 0 HB THR A 81 17.056 9.442 -16.384 1.00 0.00 H new ATOM 0 HG1 THR A 81 16.212 7.394 -15.616 1.00 0.00 H new ATOM 0 HG21 THR A 81 18.007 8.368 -14.377 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.030 10.142 -14.246 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.803 9.201 -13.365 1.00 0.00 H new ATOM 1227 N GLN A 82 15.993 11.480 -13.151 1.00 0.00 N ATOM 1228 CA GLN A 82 15.707 11.733 -11.744 1.00 0.00 C ATOM 1229 C GLN A 82 14.848 12.982 -11.579 1.00 0.00 C ATOM 1230 O GLN A 82 13.678 12.897 -11.204 1.00 0.00 O ATOM 1231 CB GLN A 82 17.010 11.888 -10.957 1.00 0.00 C ATOM 1232 CG GLN A 82 17.586 10.569 -10.468 1.00 0.00 C ATOM 1233 CD GLN A 82 18.640 10.755 -9.395 1.00 0.00 C ATOM 1234 OE1 GLN A 82 18.432 11.482 -8.423 1.00 0.00 O ATOM 1235 NE2 GLN A 82 19.781 10.097 -9.565 1.00 0.00 N ATOM 0 H GLN A 82 16.883 11.859 -13.476 1.00 0.00 H new ATOM 0 HA GLN A 82 15.153 10.880 -11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.748 12.386 -11.586 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.832 12.537 -10.100 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.780 9.948 -10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.022 10.032 -11.311 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.911 9.505 -10.385 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.527 10.183 -8.875 1.00 0.00 H new ATOM 1244 N MET A 83 15.435 14.140 -11.860 1.00 0.00 N ATOM 1245 CA MET A 83 14.722 15.407 -11.743 1.00 0.00 C ATOM 1246 C MET A 83 13.271 15.257 -12.189 1.00 0.00 C ATOM 1247 O MET A 83 12.350 15.681 -11.491 1.00 0.00 O ATOM 1248 CB MET A 83 15.416 16.486 -12.577 1.00 0.00 C ATOM 1249 CG MET A 83 14.686 17.820 -12.572 1.00 0.00 C ATOM 1250 SD MET A 83 14.694 18.610 -10.952 1.00 0.00 S ATOM 1251 CE MET A 83 16.443 18.570 -10.565 1.00 0.00 C ATOM 0 H MET A 83 16.403 14.228 -12.170 1.00 0.00 H new ATOM 0 HA MET A 83 14.732 15.706 -10.695 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.427 16.633 -12.198 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.509 16.136 -13.605 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.150 18.486 -13.299 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.655 17.667 -12.892 1.00 0.00 H new ATOM 0 HE1 MET A 83 16.606 18.992 -9.574 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.796 17.539 -10.583 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.992 19.154 -11.303 1.00 0.00 H new ATOM 1261 N SER A 84 13.075 14.652 -13.357 1.00 0.00 N ATOM 1262 CA SER A 84 11.736 14.450 -13.898 1.00 0.00 C ATOM 1263 C SER A 84 10.921 13.526 -12.999 1.00 0.00 C ATOM 1264 O SER A 84 9.758 13.799 -12.702 1.00 0.00 O ATOM 1265 CB SER A 84 11.817 13.867 -15.310 1.00 0.00 C ATOM 1266 OG SER A 84 10.609 14.082 -16.020 1.00 0.00 O ATOM 0 H SER A 84 13.826 14.293 -13.946 1.00 0.00 H new ATOM 0 HA SER A 84 11.237 15.418 -13.941 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.646 14.325 -15.849 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.025 12.798 -15.254 1.00 0.00 H new ATOM 0 HG SER A 84 10.686 13.702 -16.920 1.00 0.00 H new ATOM 1272 N ASN A 85 11.539 12.431 -12.570 1.00 0.00 N ATOM 1273 CA ASN A 85 10.872 11.465 -11.705 1.00 0.00 C ATOM 1274 C ASN A 85 10.389 12.128 -10.419 1.00 0.00 C ATOM 1275 O ASN A 85 9.323 11.798 -9.899 1.00 0.00 O ATOM 1276 CB ASN A 85 11.816 10.308 -11.373 1.00 0.00 C ATOM 1277 CG ASN A 85 11.810 9.231 -12.440 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.854 9.105 -13.205 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.882 8.449 -12.497 1.00 0.00 N ATOM 0 H ASN A 85 12.501 12.190 -12.807 1.00 0.00 H new ATOM 0 HA ASN A 85 10.005 11.075 -12.239 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.829 10.692 -11.255 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.527 9.870 -10.417 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.936 7.708 -13.195 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.651 8.590 -11.842 1.00 0.00 H new ATOM 1286 N PHE A 86 11.182 13.067 -9.910 1.00 0.00 N ATOM 1287 CA PHE A 86 10.836 13.777 -8.685 1.00 0.00 C ATOM 1288 C PHE A 86 9.743 14.809 -8.944 1.00 0.00 C ATOM 1289 O PHE A 86 8.671 14.761 -8.339 1.00 0.00 O ATOM 1290 CB PHE A 86 12.074 14.463 -8.102 1.00 0.00 C ATOM 1291 CG PHE A 86 13.193 13.513 -7.787 1.00 0.00 C ATOM 1292 CD1 PHE A 86 12.939 12.308 -7.151 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.500 13.825 -8.125 1.00 0.00 C ATOM 1294 CE1 PHE A 86 13.967 11.431 -6.860 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.532 12.952 -7.837 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.265 11.754 -7.202 1.00 0.00 C ATOM 0 H PHE A 86 12.068 13.353 -10.327 1.00 0.00 H new ATOM 0 HA PHE A 86 10.460 13.049 -7.966 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.432 15.211 -8.809 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.791 14.993 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.926 12.051 -6.880 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.715 14.761 -8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.755 10.494 -6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.546 13.206 -8.108 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.070 11.072 -6.974 1.00 0.00 H new ATOM 1306 N LEU A 87 10.022 15.743 -9.846 1.00 0.00 N ATOM 1307 CA LEU A 87 9.063 16.789 -10.187 1.00 0.00 C ATOM 1308 C LEU A 87 7.714 16.188 -10.565 1.00 0.00 C ATOM 1309 O LEU A 87 6.664 16.680 -10.150 1.00 0.00 O ATOM 1310 CB LEU A 87 9.597 17.642 -11.339 1.00 0.00 C ATOM 1311 CG LEU A 87 10.760 18.575 -11.002 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.274 19.263 -12.257 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.334 19.603 -9.964 1.00 0.00 C ATOM 0 H LEU A 87 10.904 15.798 -10.355 1.00 0.00 H new ATOM 0 HA LEU A 87 8.924 17.421 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.913 16.976 -12.141 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.776 18.244 -11.729 1.00 0.00 H new ATOM 0 HG LEU A 87 11.570 17.978 -10.583 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.102 19.923 -11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.618 18.512 -12.968 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.471 19.848 -12.706 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.174 20.259 -9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.507 20.195 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.015 19.092 -9.055 1.00 0.00 H new ATOM 1325 N LYS A 88 7.748 15.120 -11.355 1.00 0.00 N ATOM 1326 CA LYS A 88 6.529 14.449 -11.788 1.00 0.00 C ATOM 1327 C LYS A 88 5.525 14.353 -10.644 1.00 0.00 C ATOM 1328 O LYS A 88 5.566 13.416 -9.846 1.00 0.00 O ATOM 1329 CB LYS A 88 6.852 13.049 -12.316 1.00 0.00 C ATOM 1330 CG LYS A 88 7.150 13.014 -13.805 1.00 0.00 C ATOM 1331 CD LYS A 88 7.481 11.607 -14.274 1.00 0.00 C ATOM 1332 CE LYS A 88 7.620 11.542 -15.787 1.00 0.00 C ATOM 1333 NZ LYS A 88 8.202 10.247 -16.236 1.00 0.00 N ATOM 0 H LYS A 88 8.608 14.701 -11.708 1.00 0.00 H new ATOM 0 HA LYS A 88 6.085 15.039 -12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.711 12.654 -11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.011 12.388 -12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.289 13.390 -14.358 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.986 13.678 -14.026 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.409 11.276 -13.808 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.699 10.921 -13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.642 11.680 -16.248 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.252 12.362 -16.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.280 10.243 -17.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.146 10.127 -15.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.586 9.466 -15.932 1.00 0.00 H new ATOM 1433 N TYR A 95 5.156 21.016 -13.178 1.00 0.00 N ATOM 1434 CA TYR A 95 6.501 21.580 -13.155 1.00 0.00 C ATOM 1435 C TYR A 95 7.147 21.503 -14.535 1.00 0.00 C ATOM 1436 O TYR A 95 8.327 21.174 -14.663 1.00 0.00 O ATOM 1437 CB TYR A 95 7.368 20.844 -12.132 1.00 0.00 C ATOM 1438 CG TYR A 95 6.854 20.951 -10.714 1.00 0.00 C ATOM 1439 CD1 TYR A 95 5.899 20.065 -10.232 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.324 21.938 -9.857 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.426 20.160 -8.937 1.00 0.00 C ATOM 1442 CE2 TYR A 95 6.858 22.039 -8.560 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.908 21.148 -8.105 1.00 0.00 C ATOM 1444 OH TYR A 95 5.441 21.245 -6.815 1.00 0.00 O ATOM 0 HA TYR A 95 6.423 22.629 -12.868 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.428 19.792 -12.409 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.382 21.243 -12.173 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.520 19.289 -10.880 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.066 22.638 -10.210 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.682 19.464 -8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.235 22.811 -7.906 1.00 0.00 H new ATOM 0 HH TYR A 95 5.186 20.356 -6.492 1.00 0.00 H new ATOM 1454 N ASP A 96 6.366 21.810 -15.565 1.00 0.00 N ATOM 1455 CA ASP A 96 6.860 21.778 -16.936 1.00 0.00 C ATOM 1456 C ASP A 96 7.837 22.923 -17.188 1.00 0.00 C ATOM 1457 O ASP A 96 8.895 22.728 -17.786 1.00 0.00 O ATOM 1458 CB ASP A 96 5.695 21.859 -17.923 1.00 0.00 C ATOM 1459 CG ASP A 96 4.999 20.525 -18.108 1.00 0.00 C ATOM 1460 OD1 ASP A 96 4.845 19.793 -17.108 1.00 0.00 O ATOM 1461 OD2 ASP A 96 4.608 20.212 -19.252 1.00 0.00 O ATOM 0 H ASP A 96 5.388 22.084 -15.476 1.00 0.00 H new ATOM 0 HA ASP A 96 7.386 20.835 -17.084 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.974 22.596 -17.570 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.063 22.210 -18.887 1.00 0.00 H new ATOM 1466 N ARG A 97 7.474 24.116 -16.729 1.00 0.00 N ATOM 1467 CA ARG A 97 8.317 25.292 -16.907 1.00 0.00 C ATOM 1468 C ARG A 97 9.665 25.104 -16.216 1.00 0.00 C ATOM 1469 O ARG A 97 10.715 25.382 -16.795 1.00 0.00 O ATOM 1470 CB ARG A 97 7.617 26.535 -16.354 1.00 0.00 C ATOM 1471 CG ARG A 97 6.702 27.216 -17.359 1.00 0.00 C ATOM 1472 CD ARG A 97 6.403 28.651 -16.955 1.00 0.00 C ATOM 1473 NE ARG A 97 6.111 29.495 -18.111 1.00 0.00 N ATOM 1474 CZ ARG A 97 5.515 30.679 -18.025 1.00 0.00 C ATOM 1475 NH1 ARG A 97 5.151 31.157 -16.843 1.00 0.00 N ATOM 1476 NH2 ARG A 97 5.284 31.388 -19.122 1.00 0.00 N ATOM 0 H ARG A 97 6.602 24.294 -16.231 1.00 0.00 H new ATOM 0 HA ARG A 97 8.491 25.426 -17.975 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.034 26.254 -15.477 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.371 27.248 -16.020 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.168 27.204 -18.344 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.769 26.658 -17.441 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.554 28.666 -16.271 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.256 29.060 -16.413 1.00 0.00 H new ATOM 0 HE ARG A 97 6.380 29.157 -19.035 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.329 30.615 -15.997 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.694 32.066 -16.780 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.564 31.024 -20.033 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.826 32.297 -19.055 1.00 0.00 H new ATOM 1490 N VAL A 98 9.627 24.631 -14.974 1.00 0.00 N ATOM 1491 CA VAL A 98 10.844 24.406 -14.205 1.00 0.00 C ATOM 1492 C VAL A 98 11.699 23.313 -14.836 1.00 0.00 C ATOM 1493 O VAL A 98 12.896 23.498 -15.061 1.00 0.00 O ATOM 1494 CB VAL A 98 10.524 24.015 -12.750 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.807 23.786 -11.964 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.667 25.084 -12.088 1.00 0.00 C ATOM 0 H VAL A 98 8.766 24.396 -14.480 1.00 0.00 H new ATOM 0 HA VAL A 98 11.398 25.345 -14.208 1.00 0.00 H new ATOM 0 HB VAL A 98 9.960 23.082 -12.758 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.561 23.511 -10.938 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.380 22.983 -12.428 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.400 24.700 -11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.450 24.792 -11.061 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.203 26.033 -12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.733 25.194 -12.639 1.00 0.00 H new ATOM 1506 N TYR A 99 11.078 22.174 -15.121 1.00 0.00 N ATOM 1507 CA TYR A 99 11.782 21.050 -15.726 1.00 0.00 C ATOM 1508 C TYR A 99 12.449 21.464 -17.034 1.00 0.00 C ATOM 1509 O TYR A 99 13.672 21.416 -17.163 1.00 0.00 O ATOM 1510 CB TYR A 99 10.816 19.891 -15.978 1.00 0.00 C ATOM 1511 CG TYR A 99 11.415 18.770 -16.796 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.490 18.032 -16.317 1.00 0.00 C ATOM 1513 CD2 TYR A 99 10.907 18.449 -18.049 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.042 17.007 -17.061 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.451 17.425 -18.799 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.518 16.707 -18.301 1.00 0.00 C ATOM 1517 OH TYR A 99 13.064 15.686 -19.046 1.00 0.00 O ATOM 0 H TYR A 99 10.088 22.005 -14.943 1.00 0.00 H new ATOM 0 HA TYR A 99 12.557 20.724 -15.032 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.483 19.492 -15.020 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.932 20.271 -16.490 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.902 18.264 -15.346 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.072 19.010 -18.443 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.879 16.444 -16.674 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.043 17.188 -19.770 1.00 0.00 H new ATOM 0 HH TYR A 99 12.579 15.604 -19.893 1.00 0.00 H new ATOM 1527 N ASN A 100 11.635 21.873 -18.002 1.00 0.00 N ATOM 1528 CA ASN A 100 12.145 22.297 -19.301 1.00 0.00 C ATOM 1529 C ASN A 100 13.427 23.108 -19.144 1.00 0.00 C ATOM 1530 O ASN A 100 14.462 22.769 -19.717 1.00 0.00 O ATOM 1531 CB ASN A 100 11.091 23.126 -20.040 1.00 0.00 C ATOM 1532 CG ASN A 100 9.895 22.295 -20.463 1.00 0.00 C ATOM 1533 OD1 ASN A 100 10.015 21.095 -20.710 1.00 0.00 O ATOM 1534 ND2 ASN A 100 8.734 22.933 -20.550 1.00 0.00 N ATOM 0 H ASN A 100 10.620 21.920 -17.911 1.00 0.00 H new ATOM 0 HA ASN A 100 12.370 21.404 -19.884 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.756 23.939 -19.397 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.543 23.582 -20.921 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.894 22.427 -20.831 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.682 23.929 -20.336 1.00 0.00 H new ATOM 1541 N GLY A 101 13.351 24.181 -18.363 1.00 0.00 N ATOM 1542 CA GLY A 101 14.513 25.023 -18.144 1.00 0.00 C ATOM 1543 C GLY A 101 15.745 24.224 -17.765 1.00 0.00 C ATOM 1544 O GLY A 101 16.822 24.429 -18.325 1.00 0.00 O ATOM 0 H GLY A 101 12.506 24.482 -17.878 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.719 25.595 -19.049 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.293 25.742 -17.355 1.00 0.00 H new ATOM 1548 N TYR A 102 15.587 23.313 -16.812 1.00 0.00 N ATOM 1549 CA TYR A 102 16.697 22.484 -16.356 1.00 0.00 C ATOM 1550 C TYR A 102 17.325 21.726 -17.522 1.00 0.00 C ATOM 1551 O TYR A 102 18.520 21.852 -17.788 1.00 0.00 O ATOM 1552 CB TYR A 102 16.219 21.497 -15.289 1.00 0.00 C ATOM 1553 CG TYR A 102 17.339 20.708 -14.649 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.488 21.342 -14.193 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.248 19.330 -14.502 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.515 20.625 -13.609 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.268 18.605 -13.917 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.400 19.257 -13.472 1.00 0.00 C ATOM 1559 OH TYR A 102 20.419 18.539 -12.890 1.00 0.00 O ATOM 0 H TYR A 102 14.702 23.129 -16.340 1.00 0.00 H new ATOM 0 HA TYR A 102 17.453 23.139 -15.923 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.682 22.044 -14.514 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.509 20.804 -15.739 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.580 22.413 -14.297 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.364 18.816 -14.851 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.403 21.133 -13.262 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.180 17.534 -13.809 1.00 0.00 H new ATOM 0 HH TYR A 102 20.179 17.589 -12.869 1.00 0.00 H new ATOM 1569 N VAL A 103 16.509 20.937 -18.214 1.00 0.00 N ATOM 1570 CA VAL A 103 16.982 20.158 -19.352 1.00 0.00 C ATOM 1571 C VAL A 103 18.032 20.928 -20.146 1.00 0.00 C ATOM 1572 O VAL A 103 19.167 20.475 -20.295 1.00 0.00 O ATOM 1573 CB VAL A 103 15.823 19.776 -20.292 1.00 0.00 C ATOM 1574 CG1 VAL A 103 16.340 18.986 -21.484 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.764 18.987 -19.537 1.00 0.00 C ATOM 0 H VAL A 103 15.517 20.821 -18.006 1.00 0.00 H new ATOM 0 HA VAL A 103 17.428 19.249 -18.949 1.00 0.00 H new ATOM 0 HB VAL A 103 15.364 20.691 -20.666 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.507 18.725 -22.137 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.059 19.591 -22.037 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.826 18.075 -21.134 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.952 18.725 -20.216 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.207 18.077 -19.133 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.372 19.593 -18.720 1.00 0.00 H new ATOM 1585 N ILE A 104 17.646 22.094 -20.653 1.00 0.00 N ATOM 1586 CA ILE A 104 18.554 22.927 -21.430 1.00 0.00 C ATOM 1587 C ILE A 104 19.878 23.126 -20.699 1.00 0.00 C ATOM 1588 O ILE A 104 20.951 23.012 -21.293 1.00 0.00 O ATOM 1589 CB ILE A 104 17.935 24.305 -21.732 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.658 24.144 -22.558 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.937 25.187 -22.462 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.776 25.373 -22.553 1.00 0.00 C ATOM 0 H ILE A 104 16.710 22.483 -20.539 1.00 0.00 H new ATOM 0 HA ILE A 104 18.735 22.405 -22.370 1.00 0.00 H new ATOM 0 HB ILE A 104 17.677 24.786 -20.789 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.928 23.905 -23.587 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.090 23.297 -22.172 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.485 26.157 -22.668 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.822 25.324 -21.840 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.223 24.713 -23.401 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.889 25.187 -23.159 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.476 25.601 -21.530 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.327 26.218 -22.966 1.00 0.00 H new ATOM 1604 N HIS A 105 19.795 23.424 -19.407 1.00 0.00 N ATOM 1605 CA HIS A 105 20.987 23.637 -18.593 1.00 0.00 C ATOM 1606 C HIS A 105 21.980 22.492 -18.774 1.00 0.00 C ATOM 1607 O HIS A 105 23.193 22.691 -18.700 1.00 0.00 O ATOM 1608 CB HIS A 105 20.607 23.769 -17.118 1.00 0.00 C ATOM 1609 CG HIS A 105 21.719 24.284 -16.257 1.00 0.00 C ATOM 1610 ND1 HIS A 105 21.936 25.626 -16.031 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.678 23.627 -15.563 1.00 0.00 C ATOM 1612 CE1 HIS A 105 22.982 25.773 -15.237 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.450 24.575 -14.938 1.00 0.00 N ATOM 0 H HIS A 105 18.915 23.524 -18.901 1.00 0.00 H new ATOM 0 HA HIS A 105 21.461 24.562 -18.922 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.751 24.438 -17.030 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.290 22.795 -16.744 1.00 0.00 H new ATOM 0 HD1 HIS A 105 21.377 26.387 -16.416 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.811 22.556 -15.511 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.386 26.713 -14.891 1.00 0.00 H new ATOM 1622 N LEU A 106 21.457 21.294 -19.011 1.00 0.00 N ATOM 1623 CA LEU A 106 22.297 20.117 -19.202 1.00 0.00 C ATOM 1624 C LEU A 106 22.857 20.071 -20.620 1.00 0.00 C ATOM 1625 O LEU A 106 23.973 19.602 -20.842 1.00 0.00 O ATOM 1626 CB LEU A 106 21.498 18.844 -18.916 1.00 0.00 C ATOM 1627 CG LEU A 106 21.398 18.430 -17.448 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.803 19.555 -16.615 1.00 0.00 C ATOM 1629 CD2 LEU A 106 20.567 17.162 -17.306 1.00 0.00 C ATOM 0 H LEU A 106 20.455 21.112 -19.075 1.00 0.00 H new ATOM 0 HA LEU A 106 23.131 20.180 -18.504 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.488 18.978 -19.305 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.948 18.023 -19.474 1.00 0.00 H new ATOM 0 HG LEU A 106 22.403 18.225 -17.080 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.740 19.242 -15.573 1.00 0.00 H new ATOM 0 HD12 LEU A 106 21.437 20.438 -16.691 1.00 0.00 H new ATOM 0 HD13 LEU A 106 19.805 19.792 -16.984 1.00 0.00 H new ATOM 0 HD21 LEU A 106 20.507 16.882 -16.254 1.00 0.00 H new ATOM 0 HD22 LEU A 106 19.563 17.340 -17.692 1.00 0.00 H new ATOM 0 HD23 LEU A 106 21.035 16.355 -17.870 1.00 0.00 H new